DIST tinker.tar.gz 8177555 RMD160 95f904f03f6a1767bbf73b00f326d19a164b7a1c SHA1 b42c5763958869894ee91fcd2ed4c5e03d8c1e5d SHA256 ad0cc9782dabdb0cce490fe26508761a36078e741f019090cbaa3e6cacf71055
-EBUILD tinker-4.2.ebuild 3423 RMD160 bf08ef54b9e26cc41ae33816c5ff31181bb733ad SHA1 e50d4541c969db762f6c6ca0e6cc344c8650a779 SHA256 3dd149c382637f6da4731c641dc61b45b0407b439fbfe8496450280040466440
-MD5 efa478ed2df528d31633db8cb308edae tinker-4.2.ebuild 3423
-RMD160 bf08ef54b9e26cc41ae33816c5ff31181bb733ad tinker-4.2.ebuild 3423
-SHA256 3dd149c382637f6da4731c641dc61b45b0407b439fbfe8496450280040466440 tinker-4.2.ebuild 3423
-MISC ChangeLog 770 RMD160 3c6b81650eebd05d486fc6d42c565c2d7c592fb9 SHA1 a79be8338a5a6ca0129bf1786189309f79987ae0 SHA256 1412bdecfa7111c81013076ad957197b9470dd19c06fc7a2bca04a5dfd5e6432
-MD5 09ca06efe4ed16fe5d7f90b913a3f0e3 ChangeLog 770
-RMD160 3c6b81650eebd05d486fc6d42c565c2d7c592fb9 ChangeLog 770
-SHA256 1412bdecfa7111c81013076ad957197b9470dd19c06fc7a2bca04a5dfd5e6432 ChangeLog 770
+EBUILD tinker-4.2-r1.ebuild 3430 RMD160 a012cc3452be98fe240cde0921a8d5bd5397fbad SHA1 10158b535208e61c62597410f0d0661f6b36d90e SHA256 7c7b82c2aa065d7e8bc92997a42eb201ad9d5b2d53bf296958640a5dd9d20805
+MD5 a935bd268bc9a2e46267a6a88882adcb tinker-4.2-r1.ebuild 3430
+RMD160 a012cc3452be98fe240cde0921a8d5bd5397fbad tinker-4.2-r1.ebuild 3430
+SHA256 7c7b82c2aa065d7e8bc92997a42eb201ad9d5b2d53bf296958640a5dd9d20805 tinker-4.2-r1.ebuild 3430
+MISC ChangeLog 953 RMD160 4ccfb889ddf416a94ce696ee2d4c594940f3797a SHA1 c2eb2a0254b83f002cb18dc1e3f1376f95e70bc5 SHA256 3a8d565f33489de1f6854f1d407f3a3796239b08882cb4171e42c411766cb4f4
+MD5 800e5c6429ef6bcf1dab2a35b55a52d4 ChangeLog 953
+RMD160 4ccfb889ddf416a94ce696ee2d4c594940f3797a ChangeLog 953
+SHA256 3a8d565f33489de1f6854f1d407f3a3796239b08882cb4171e42c411766cb4f4 ChangeLog 953
MISC metadata.xml 248 RMD160 6488d9f1ef3e05e6ac5a29ddcc818e5ead0a5230 SHA1 75a648fddef9922cdfe21fb0298a1c746190fd82 SHA256 de0ad7dc383b462c407cae015684d27c090455eac87c6f0f9ff581ef6e0b5b27
MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248
RMD160 6488d9f1ef3e05e6ac5a29ddcc818e5ead0a5230 metadata.xml 248
SHA256 de0ad7dc383b462c407cae015684d27c090455eac87c6f0f9ff581ef6e0b5b27 metadata.xml 248
-MD5 bc68e922b4d266a2d3b108476bd85f79 files/digest-tinker-4.2 223
-RMD160 9589a80d8582fe2e25496cb21966180ea7a45373 files/digest-tinker-4.2 223
-SHA256 673034fdeec36dc3123dfda32dc3160233724bc4011fdfc465327593c29e17d0 files/digest-tinker-4.2 223
+MD5 bc68e922b4d266a2d3b108476bd85f79 files/digest-tinker-4.2-r1 223
+RMD160 9589a80d8582fe2e25496cb21966180ea7a45373 files/digest-tinker-4.2-r1 223
+SHA256 673034fdeec36dc3123dfda32dc3160233724bc4011fdfc465327593c29e17d0 files/digest-tinker-4.2-r1 223
+++ /dev/null
-# Copyright 1999-2006 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/tinker/tinker-4.2.ebuild,v 1.3 2006/06/21 06:55:41 spyderous Exp $
-
-inherit fortran toolchain-funcs
-
-FORTRAN="g77 gfortran ifc"
-
-DESCRIPTION="TINKER is a molecular modeling package that includes force fields for handing large molecules and large systems, such as AMBER and CHARMM. A Java based visualization front end is included."
-HOMEPAGE="http://dasher.wustl.edu/tinker/"
-SRC_URI="ftp://dasher.wustl.edu/pub/tinker.tar.gz"
-IUSE="X"
-LICENSE="Tinker"
-SLOT="0"
-KEYWORDS="~x86"
-
-DEPEND="X? (
- || ( dev-java/blackdown-java3d-bin
- dev-java/sun-java3d-bin )
- )"
-S="${WORKDIR}/tinker/source"
-
-src_compile() {
- if use X; then
- COMPGUI="./compgui.make"
- LINK="./linkgui.make"
- if use ppc-macos; then
- cp ../jar/macosx/sockets.c .
- else
- cp ../jar/linux/sockets.c .
- fi
- else
- LINK="./link.make"
- fi
-
- COMPILE="./compile.make"
- LIBRARY="./library.make"
-
- # Need to make sure all of the appropriate config files are in place
- # for the build.
- # This should be easily customizable for other Fortran compilers, e.g. pg77.
- if use ppc-macos; then
- cp ../apple/gnu/* .
- elif [ "${FORTRANC}" = "ifc" ]; then
- cp ../linux/intel/* .
- else
- cp ../linux/gnu/* .
- fi
-
- cp ../make/* .
-
- # Prep build scripts
- if use X; then
- sed -i \
- -e "s:-O3:${CFLAGS}:" \
- -e "s:gcc:$(tc-getCC):" \
- ${COMPGUI}
- local JAVA_HOME=$(java-config --jdk-home)
- local JAVA_LIB_PATH="${JAVA_HOME}/jre/lib/i386/client"
- ln -s ${JAVA_LIB_PATH}/libjvm.so
- sed -i -e "s:/local/java/j2sdk1.4.2_05:${JAVA_HOME}:g" ${COMPGUI}
- sed -i -e "s:g77:${FORTRANC}:g" ${LINK}
- fi
- # Default to -O2 if FFLAGS is unset
- sed -i -e "s:-O3 -ffast-math:${FFLAGS:- -O2}:" ${COMPILE}
- sed -i -e "s:g77:${FORTRANC}:g" ${COMPILE}
-
- # Prep executable script - the one packaged with the distro is b0rked
- if use X; then
- echo 'java -jar /usr/lib/tinker/ffe.jar -Djava.library.path=$(java-config -i blackdown-java3d-bin) -cp $(java-config -p blackdown-java3d-bin)' > tinker
- fi
-
- einfo "Compiling ..."
- if use X; then
- ${COMPGUI} || die "GUI compile failed"
- fi
- ${COMPILE} || die "compile failed"
- einfo "Building libraries ..."
- ${LIBRARY} || die "library creation failed"
- einfo "Linking ..."
- ${LINK} || die "link failed"
-}
-
-src_install() {
- exeinto /usr/bin
-
- dodoc \
- ${WORKDIR}/tinker/doc/*.txt \
- ${WORKDIR}/tinker/doc/release-4.2 \
- ${WORKDIR}/tinker/doc/*.pdf
-
- if use X; then
- if use ppc-macos; then
- dolib.so ${WORKDIR}/tinker/jar/macosx/libffe.jnilib
- else
- dolib.so ${WORKDIR}/tinker/jar/linux/libffe.so
- fi
- fi
-
- dolib.a libtinker.a
-
- insinto /usr/lib/tinker
- if use X; then
- doins ${WORKDIR}/tinker/jar/ffe.jar
- fi
-
- for EXE in *.x; do
- newexe ${EXE} ${EXE%.x}
- done
-
- if use X; then
- doexe tinker
- fi
-
- docinto example
- dodoc ${WORKDIR}/tinker/example/*
- docinto test
- dodoc ${WORKDIR}/tinker/test/*
-
- doexe ${WORKDIR}/tinker/perl/mdavg
-
- insinto /usr/share/tinker/params
- doins ${WORKDIR}/tinker/params/*
-}
-
-pkg_postinst() {
- einfo "Tinker binaries installed to ${ROOT}usr/bin."
- einfo "Parameter files installed to ${ROOT}usr/share/tinker/params."
- einfo "Call the Java X front-end, Force-Field Explorer, with 'tinker.'"
- einfo "It doesn't seem to detect installed Java3D yet, fixes welcome."
- einfo "You must edit ${ROOT}usr/bin/tinker if you aren't using Blackdown."
-}